abstract

We consider subset selection and active subspace techniques for parameters in a continuum phase-field polydomain model for ferroelectric materials. This analysis is necessary to mathematically determine the parameter subset or subspace critically affecting the response, prior to model calibration using either experimental or synthetic data constructed using density functional theory (DFT) simulations. For the 180° domain wall model, we employ identifiability analysis using a Fisher information matrix methodology, and subspace selection to determine the active subspace. We demonstrate the implementation and interpretation of techniques that accommodate the model structure and discuss results in the context of identifiable parameter subsets and active subspaces quantifying the strongest influence on the model output. Our results indicate that the governing domain wall gradient energy exchange parameter is most identifiable.

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